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89307-13-1 | 2-Propen-1-one, 1,3-bis[3,5-dimethoxy-4-(phenylmethoxy)phenyl]-
CAS No: 89307-13-1 Catalog No: AG003ZY3 MDL No:
Product Description
Catalog Number:
AG003ZY3
Chemical Name:
2-Propen-1-one, 1,3-bis[3,5-dimethoxy-4-(phenylmethoxy)phenyl]-
CAS Number:
89307-13-1
Molecular Formula:
C33H32O7
Molecular Weight:
540.6030
IUPAC Name:
1,3-bis(3,5-dimethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C33H32O7/c1-35-28-17-25(18-29(36-2)32(28)39-21-23-11-7-5-8-12-23)15-16-27(34)26-19-30(37-3)33(31(20-26)38-4)40-22-24-13-9-6-10-14-24/h5-20H,21-22H2,1-4H3
InChI Key:
WMBAALQXZUDWLL-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)c2cc(OC)c(c(c2)OC)OCc2ccccc2)cc(c1OCc1ccccc1)OC
Properties
Complexity:
732
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.215g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
540.612g/mol
Monoisotopic Mass:
540.215g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
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